N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide

C27H31NO2S — CID 11212674

IUPACN-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide
SMILESCCCCCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C27H31NO2S/c1-3-4-5-12-17-26(22-13-8-6-9-14-22)27(23-15-10-7-11-16-23)24-18-20-25(21-19-24)28-31(2,29)30/h6-11,13-16,18-21,28H,3-5,12,17H2,1-2H3/b27-26-
InChIKeyZUYRLXUNPGJIIF-RQZHXJHFSA-N
MW433.62 g/mol
LogP6.99
Rot. Bonds10

About N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide

N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide (PubChem CID 11212674) has the molecular formula C27H31NO2S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide
PubChem CID11212674
Molecular FormulaC27H31NO2S
Molecular Weight433.62 g/mol
Exact Mass433.21
IUPAC NameN-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide
SMILESCCCCCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C27H31NO2S/c1-3-4-5-12-17-26(22-13-8-6-9-14-22)27(23-15-10-7-11-16-23)24-18-20-25(21-19-24)28-31(2,29)30/h6-11,13-16,18-21,28H,3-5,12,17H2,1-2H3/b27-26-
InChIKeyZUYRLXUNPGJIIF-RQZHXJHFSA-N
XLogP6.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide (CID 11212674) is N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide is CCCCCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide?
The InChIKey is ZUYRLXUNPGJIIF-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H31NO2S/c1-3-4-5-12-17-26(22-13-8-6-9-14-22)27(23-15-10-7-11-16-23)24-18-20-25(21-19-24)28-31(2,29)30/h6-11,13-16,18-21,28H,3-5,12,17H2,1-2H3/b27-26-.
What are the key properties of N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide?
N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide has a molecular weight of 433.62 g/mol, XLogP of 6.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11212674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).